(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide

C15H28N4O2 — CID 155188210

IUPAC(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
SMILESC/C=C1\CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](C)NC
InChIInChI=1S/C15H28N4O2/c1-4-12-7-6-10-19(12)15(21)13(8-5-9-16)18-14(20)11(2)17-3/h4,11,13,17H,5-10,16H2,1-3H3,(H,18,20)/b12-4+/t11-,13-/m0/s1
InChIKeyALDINLKPMSDRAG-KCUGRFIWSA-N
MW296.42 g/mol
LogP0.34
Rot. Bonds7

About (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide

(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide (PubChem CID 155188210) has the molecular formula C15H28N4O2 and a molecular weight of 296.42 g/mol. Its IUPAC name is (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
PubChem CID155188210
Molecular FormulaC15H28N4O2
Molecular Weight296.42 g/mol
Exact Mass296.22
IUPAC Name(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide
SMILESC/C=C1\CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](C)NC
InChIInChI=1S/C15H28N4O2/c1-4-12-7-6-10-19(12)15(21)13(8-5-9-16)18-14(20)11(2)17-3/h4,11,13,17H,5-10,16H2,1-3H3,(H,18,20)/b12-4+/t11-,13-/m0/s1
InChIKeyALDINLKPMSDRAG-KCUGRFIWSA-N
XLogP0.34
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide (CID 155188210) is (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide is C/C=C1\CCCN1C(=O)[C@H](CCCN)NC(=O)[C@H](C)NC.
What is the InChIKey of (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide?
The InChIKey is ALDINLKPMSDRAG-KCUGRFIWSA-N. The full InChI is InChI=1S/C15H28N4O2/c1-4-12-7-6-10-19(12)15(21)13(8-5-9-16)18-14(20)11(2)17-3/h4,11,13,17H,5-10,16H2,1-3H3,(H,18,20)/b12-4+/t11-,13-/m0/s1.
What are the key properties of (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide?
(2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide has a molecular weight of 296.42 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(2S)-5-amino-1-[(2E)-2-ethylidenepyrrolidin-1-yl]-1-oxopentan-2-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 155188210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).